(2R)-1,1,1-trifluoro-4-methylpentan-2-ol

C6H11F3O — CID 18396350

IUPAC(2R)-1,1,1-trifluoro-4-methylpentan-2-ol
SMILESCC(C)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-4(2)3-5(10)6(7,8)9/h4-5,10H,3H2,1-2H3/t5-/m1/s1
InChIKeyQSTJOHVLWZPHGL-RXMQYKEDSA-N
MW156.15 g/mol
LogP1.96
Rot. Bonds2

About (2R)-1,1,1-trifluoro-4-methylpentan-2-ol

(2R)-1,1,1-trifluoro-4-methylpentan-2-ol (PubChem CID 18396350) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-4-methylpentan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-4-methylpentan-2-ol
PubChem CID18396350
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name(2R)-1,1,1-trifluoro-4-methylpentan-2-ol
SMILESCC(C)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-4(2)3-5(10)6(7,8)9/h4-5,10H,3H2,1-2H3/t5-/m1/s1
InChIKeyQSTJOHVLWZPHGL-RXMQYKEDSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methyl-2-Pentanol
CID 7910
1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol
CID 118191
(2S)-4-methylpentan-2-ol
CID 6994471
(2R)-4-methylpentan-2-ol
CID 6999987
5,5,5-Trifluoropentan-2-ol
CID 13620753
1,1,1-Trifluoro-3-methylbutan-2-ol
CID 11400829
4,4-Difluoropentan-2-ol
CID 54493083
1,1-Difluoropentan-2-ol
CID 80611194
3,3-Difluoropentan-2-ol
CID 87688066
3,3,4,5,5,5-Hexafluoro-2-methylpentan-1-ol
CID 115661
4,4,4-Trifluoro-3-methylbutan-1-ol
CID 274355
4,4,4-Trifluoro-2-methylbutan-1-ol
CID 2775532

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-4-methylpentan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-4-methylpentan-2-ol (CID 18396350) is (2R)-1,1,1-trifluoro-4-methylpentan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-4-methylpentan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-4-methylpentan-2-ol is CC(C)C[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-4-methylpentan-2-ol?
The InChIKey is QSTJOHVLWZPHGL-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11F3O/c1-4(2)3-5(10)6(7,8)9/h4-5,10H,3H2,1-2H3/t5-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-4-methylpentan-2-ol?
(2R)-1,1,1-trifluoro-4-methylpentan-2-ol has a molecular weight of 156.15 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-4-methylpentan-2-ol is sourced from PubChem (CID 18396350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).